N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

C16H8Cl2F2N2OS — CID 1312422

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1c(F)cccc1F
InChIInChI=1S/C16H8Cl2F2N2OS/c17-9-5-4-8(6-10(9)18)13-7-24-16(21-13)22-15(23)14-11(19)2-1-3-12(14)20/h1-7H,(H,21,22,23)
InChIKeyOONXDYPWXXXOSV-UHFFFAOYSA-N
MW385.22 g/mol
LogP5.65
Rot. Bonds3

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (PubChem CID 1312422) has the molecular formula C16H8Cl2F2N2OS and a molecular weight of 385.22 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
PubChem CID1312422
Molecular FormulaC16H8Cl2F2N2OS
Molecular Weight385.22 g/mol
Exact Mass383.97
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1c(F)cccc1F
InChIInChI=1S/C16H8Cl2F2N2OS/c17-9-5-4-8(6-10(9)18)13-7-24-16(21-13)22-15(23)14-11(19)2-1-3-12(14)20/h1-7H,(H,21,22,23)
InChIKeyOONXDYPWXXXOSV-UHFFFAOYSA-N
XLogP5.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.22
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (CID 1312422) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1c(F)cccc1F.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The InChIKey is OONXDYPWXXXOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F2N2OS/c17-9-5-4-8(6-10(9)18)13-7-24-16(21-13)22-15(23)14-11(19)2-1-3-12(14)20/h1-7H,(H,21,22,23).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide has a molecular weight of 385.22 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 1312422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).